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89187-62-2 | Phosphonic acid, [2-(4-chlorophenyl)-2-methylpropyl]-, dimethyl ester
CAS No: 89187-62-2 Catalog No: AG004TOW MDL No:
Product Description
Catalog Number:
AG004TOW
Chemical Name:
Phosphonic acid, [2-(4-chlorophenyl)-2-methylpropyl]-, dimethyl ester
CAS Number:
89187-62-2
Molecular Formula:
C12H18ClO3P
Molecular Weight:
276.6963
IUPAC Name:
1-chloro-4-(1-dimethoxyphosphoryl-2-methylpropan-2-yl)benzene
InChI:
InChI=1S/C12H18ClO3P/c1-12(2,9-17(14,15-3)16-4)10-5-7-11(13)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
AKGHJSINNSYNNC-UHFFFAOYSA-N
SMILES:
COP(=O)(CC(c1ccc(cc1)Cl)(C)C)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.697g/mol
Monoisotopic Mass:
276.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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